2,8-dimethyl-3-[4-[(Z)-prop-1-enyl]phenyl]-8-azabicyclo[3.2.1]octane

C18H25N — CID 59979094

IUPAC2,8-dimethyl-3-[4-[(Z)-prop-1-enyl]phenyl]-8-azabicyclo[3.2.1]octane
SMILESC/C=C\c1ccc(C2CC3CCC(C2C)N3C)cc1
InChIInChI=1S/C18H25N/c1-4-5-14-6-8-15(9-7-14)17-12-16-10-11-18(13(17)2)19(16)3/h4-9,13,16-18H,10-12H2,1-3H3/b5-4-
InChIKeyIFKUPUGVKKRCEY-PLNGDYQASA-N
MW255.41 g/mol
LogP4.31
Rot. Bonds2

About 2,8-dimethyl-3-[4-[(Z)-prop-1-enyl]phenyl]-8-azabicyclo[3.2.1]octane

2,8-dimethyl-3-[4-[(Z)-prop-1-enyl]phenyl]-8-azabicyclo[3.2.1]octane (PubChem CID 59979094) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 2,8-dimethyl-3-[4-[(Z)-prop-1-enyl]phenyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2,8-dimethyl-3-[4-[(Z)-prop-1-enyl]phenyl]-8-azabicyclo[3.2.1]octane
PubChem CID59979094
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name2,8-dimethyl-3-[4-[(Z)-prop-1-enyl]phenyl]-8-azabicyclo[3.2.1]octane
SMILESC/C=C\c1ccc(C2CC3CCC(C2C)N3C)cc1
InChIInChI=1S/C18H25N/c1-4-5-14-6-8-15(9-7-14)17-12-16-10-11-18(13(17)2)19(16)3/h4-9,13,16-18H,10-12H2,1-3H3/b5-4-
InChIKeyIFKUPUGVKKRCEY-PLNGDYQASA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-3-[4-[(Z)-prop-1-enyl]phenyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 2,8-dimethyl-3-[4-[(Z)-prop-1-enyl]phenyl]-8-azabicyclo[3.2.1]octane (CID 59979094) is 2,8-dimethyl-3-[4-[(Z)-prop-1-enyl]phenyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2,8-dimethyl-3-[4-[(Z)-prop-1-enyl]phenyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 2,8-dimethyl-3-[4-[(Z)-prop-1-enyl]phenyl]-8-azabicyclo[3.2.1]octane is C/C=C\c1ccc(C2CC3CCC(C2C)N3C)cc1.
What is the InChIKey of 2,8-dimethyl-3-[4-[(Z)-prop-1-enyl]phenyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is IFKUPUGVKKRCEY-PLNGDYQASA-N. The full InChI is InChI=1S/C18H25N/c1-4-5-14-6-8-15(9-7-14)17-12-16-10-11-18(13(17)2)19(16)3/h4-9,13,16-18H,10-12H2,1-3H3/b5-4-.
What are the key properties of 2,8-dimethyl-3-[4-[(Z)-prop-1-enyl]phenyl]-8-azabicyclo[3.2.1]octane?
2,8-dimethyl-3-[4-[(Z)-prop-1-enyl]phenyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 255.41 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-3-[4-[(Z)-prop-1-enyl]phenyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 59979094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).